Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKIKLIAVVGPTAVGKTALGIELAKTFNGEIISGDSQQVYQKLDIGTAKASKEEQEQAYHHLIDVREVNENYSVYDFVKEAKVAIDTIISKGKIPIIVGGTGLYLQSLFEGYHLGGEVNQETLKAYREKLESLSDEDLFEKLTEQSIVIPQVNRRRAIRALELAKFGNDLQNSES-PYDVLLIGLNDD-RQVLYDRINRRVDLMIDNGLLDEAKWLY---DNYPSVQASRGIGYKELFPYFSKQIPLEEAVDKLKQNTRRFAKRQLTWFRNRMNVEFIMVGEENYQQKIKRKVSDFLSSK |
3CRM Chain:A ((8-301)) | ------IFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRADALAAMAKATARGRIPLLVGGTMLYYKALLEG----------------------------------------------------------------LPYTVAQLAIAPEQRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLHAGLPSIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMDSLAGDNLPRALRYLKTVSILA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CRM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79923 for 1626 contacts (-49.2/contact) +
2D Compatibility (PS) -22275 + (NN) -11122 + (LL) 5588
1D Compatibility (HY) -15200 + (ID) 3850
Total energy: -126782.0 ( -77.97 by residue)
QMean score : 0.512
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